(2S,5S)-2,5-Diamino-6-[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Hexanoic Acid

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Formula C15H23N7O5
IUPAC Name (2s,5s)-2,5-diamino-6-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]hexanoic acid
Molecular Mass 381.387 g·mol−1
Heat of Formation -713.6 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 429.44 Å 3
Surface Area 372.03 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey HQYKAEKEHKOAKO-YECHIGJVSA-O
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